(E)-2-diazonio-4-ethanoylsulfanyl-4-[3-(1-hydroxyethyl)-4-oxidanylidene-azetidin-2-yl]-3-oxidanylidene-1-prop-2-enoxy-but-1-en-1-olate

Systemtic Name: (E)-2-diazonio-4-ethanoylsulfanyl-4-[3-(1-hydroxyethyl)-4-oxidanylidene-azetidin-2-yl]-3-oxidanylidene-1-prop-2-enoxy-but-1-en-1-olate Openeye Name: (E)-4-acetylsulfanyl-1-allyloxy-2-diazonio-4-[3-(1-hydroxyethyl)-4-oxo-azetidin-2-yl]-3-oxo-but-1-en-1-olate CAS Name: (E)-4-(acetylthio)-2-diazonio-4-[3-(1-hydroxyethyl)-4-oxo-2-azetidinyl]-3-oxo-1-prop-2-enoxy-1-buten-1-olate IUPAC Name: (E)-4-acetylsulfanyl-2-diazonio-4-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]-3-oxo-1-prop-2-enoxybut-1-en-1-olate Traditional Name: (E)-4-(acetylthio)-1-allyloxy-2-diazonio-4-[3-(1-hydroxyethyl)-4-keto-azetidin-2-yl]-3-keto-but-1-en-1-olate Formula: C14H17N3O6S MolecularWeight: 355.36628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(NC1=O)C(C(=O)C(=C([O-])OCC=C)[N+]#N)SC(=O)C)O

Isomeric SMILES

CC(C1C(NC1=O)C(C(=O)/C(=C(/[O-])\OCC=C)/[N+]#N)SC(=O)C)O

InChI

InChI=1S/C14H17N3O6S/c1-4-5-23-14(22)10(17-15)11(20)12(24-7(3)19)9-8(6(2)18)13(21)16-9/h4,6,8-9,12,18H,1,5H2,2-3H3,(H-,16,20,21,22)